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Pyruvic aldehyde dimethyl acetal
Pyruvic aldehyde dimethyl acetal ID: B184420
CAS:6342-56-9
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:C(=O)(C(OC)OC)C	
FORMULA: C5H10O3
MASS: 118.1311
EXACT MASS: 118.0629942
INTERATOMIC DISTANCES

              C   1      C   2      O   3      O   4      O   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7504     0.0000 
   O   3    0.7500     1.2993     0.0000 
   O   4    1.3000     0.7504     1.5008     0.0000 
   O   5    1.2993     0.7500     1.9845     1.2993     0.0000 
   C   6    0.7504     1.3000     1.2993     1.9857     1.5008     0.0000 
   C   7    1.9857     1.3000     2.2512     0.7504     1.5008     2.6000 
   C   8    1.9849     1.2993     2.5986     1.5000     0.7504     2.2512 

              C   7      C   8
              ----------------------
   C   7    0.0000 
   C   8    1.2993     0.0000 



ATOMIC CHARGES
   C   1    0.2071442291
   C   2    0.2959112374
   O   3   -0.2907939686
   O   4   -0.3222661421
   O   5   -0.3222661421
   C   6    0.0777282912
   C   7    0.1772712475
   C   8    0.1772712475


BOND ANGLES
   2    1    3   C3   C2   O2    119.982
   2    1    6   C3   C2   C3    120.037
   3    1    6   O2   C2   C3    119.982
   1    2    4   C2   C3   O3    120.037
   1    2    5   C2   C3   O3    119.982
   4    2    5   O3   C3   O3    119.982
   2    4    7   C3   O3   C3    120.037
   2    5    8   C3   O3   C3    119.982


TORSION ANGLES
   4    2    1    3      0.026
   4    2    1    6    179.974
   5    2    1    3    179.974
   5    2    1    6      0.026
   7    4    2    1    179.974
   7    4    2    5      0.026
   8    5    2    1    179.974
   8    5    2    4      0.026